Hydrochloric Acid → 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-cyclopropylsulfonyl-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

HRID 88297

Reaction equation

HRID 88297 reaction equation
[CH:34]1([S:37](=[O:38])(=[O:39])[Cl:40])[CH2:35][CH2:36]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH2:20][NH:21][CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:50]>>[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH2:20][N:21]([S:37]([CH:34]3[CH2:35][CH2:36]3)(=[O:38])=[O:39])[CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 2760919Cyclopropanesulfonyl chlorideHCID 1237750161-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

Product 1

HCID 1237853751-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-cyclopropylsulfonyl-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

Sources & evidence

ORD record
ord-2ab8239bd48243de96d0ffdcf29daf08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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